Description: The unique chromatographic behaviour of DOM was investigated on three exemplary water samples representing coastal DOM, oceanic surface DOM and oceanic refractory DOM. Weddell Sea surface (30 m depth, oceanic surface DOM) and deep water (1356 m depth, refractory DOM) was sampled with a rosette sampler on RV Polarstern during ANT XXII/2 (station PS67/006-130, latitude -67.5633, longitude -55.3448) and are described elsewhere (El Naggar et al., 2007; Koch et al., 2008). Coastal DOM is routinely extracted from southern North Sea (latitude 54.1447, longitude 7.8711) and used as an in-house laboratory standard. Mass spectra were obtained with liquid chromatography coupled to a Fourier-transform Orbitrap mass spectrometer (LC-FT-Orbitrap-MS) with negative electrospray ionisation. A Q-Exactive Plus (Thermo Fisher Scientific, Bremen, Germany) was coupled to an ultra-performance liquid chromatography system (UPLC, Vanquish, Thermo Fisher Scientific, Bremen, Germany).Reversed phase chromatography was done with a C18 column (Waters AQUITY 2 x 100 mm, 1.7 µm) column at 0.3 mL min 1 and a linear gradient: A (ultrapure water, 4 mmol L 1 ammonium formate) 2 min: 99 %, 11 min: 0 %, 14.9 min: 99 %; B (MeOH, 4 mmol L 1 ammonium formate) 2 min: 1 %, 11 min: 100 %, 14.5 min 100 %, 14.9 min 1 %. The exact mass lists and intensities of the 1.1 min binned scans were exported with the Xcalibur software package (Thermo Electron Corporation). Scans were calibrated with an in-house script. Molecular formulas were assigned with the following elemental composition: 12C≤∞1H≤∞16O≤∞14N≤232S≤1 within 0.8 ppm mass deviation, and filtered with the Ultra Mass Explorer (UME, www.awi.de/en/ume, (Leefmann et al., 2019)).
Global identifier:
Doi(
"10.1594/PANGAEA.974713",
)
Measurements(
Measurements {
domain: Unspecified,
station: None,
measured_variables: [
"Event label",
"Latitude of event",
"Longitude of event",
"DEPTH, water",
"Sample ID",
"Mass-to-charge ratio",
"Intensity",
"Retention time",
"Signal/noise ratio",
"Peak resolution",
"Molecular formula",
"Mass accuracy",
"Intensity",
"Intensity",
"Intensity",
],
methods: [
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
"Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS",
],
},
)
Dataset
Origins: /Wissenschaft/PANGAEA
Tags: Ameise ? Ammonium ? Geografische Koordinaten ? Software ? Organisches Material ? Chromatografie ? Daten ? Meeresoberfläche ? Wasserprobe ? Wasser ? Verpackung ? Wasserstand ? Gewässer ? Nordsee ? Dissolved Organic Matter ? Fourier-transform ion cyclotron mass spectrometry ? Orbitrap ? liquid chromatography high-resolution mass spectrometry ? molecular composition ?
Region: AquaDom & SEA LIFE Berlin
Bounding boxes: -55.3448° .. 7.8711° x -67.5633° .. 54.1447° 13.4036° .. 13.4036° x 52.52005° .. 52.52005°
License: cc-by/4.0
Language: Englisch/English
Issued: 2025-04-24
Modified: 2025-04-24
Time ranges: 2004-12-29 - 2004-12-29
Accessed 1 times.